1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea

C21H26N6O2 — CID 55739333

IUPAC1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea
SMILESCOc1ccc(C(CNC(=O)NCc2cccnc2-n2cccn2)N(C)C)cc1
InChIInChI=1S/C21H26N6O2/c1-26(2)19(16-7-9-18(29-3)10-8-16)15-24-21(28)23-14-17-6-4-11-22-20(17)27-13-5-12-25-27/h4-13,19H,14-15H2,1-3H3,(H2,23,24,28)
InChIKeyRNYPIWBNUJHUER-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.38
Rot. Bonds8

About 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea

1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea (PubChem CID 55739333) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea
PubChem CID55739333
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea
SMILESCOc1ccc(C(CNC(=O)NCc2cccnc2-n2cccn2)N(C)C)cc1
InChIInChI=1S/C21H26N6O2/c1-26(2)19(16-7-9-18(29-3)10-8-16)15-24-21(28)23-14-17-6-4-11-22-20(17)27-13-5-12-25-27/h4-13,19H,14-15H2,1-3H3,(H2,23,24,28)
InChIKeyRNYPIWBNUJHUER-UHFFFAOYSA-N
XLogP2.38
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea with MolForge

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Related Compounds

1-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-phenoxy-3-pyridinyl)urea
CID 51953485
methyl N-[4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]carbamate
CID 55799910
2-phenoxy-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 46431766
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 55652406
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46446864
1-[2-(4-methoxyphenoxy)ethyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 55744071
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(furan-2-ylmethyl)urea
CID 134056891
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 94021429
2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 120703672
4-(4-methylphenoxy)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 31968271
N-[2-methoxy-4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]acetamide
CID 154796474
N-[2-(dimethylamino)-2-phenylethyl]-2-(4-methoxyphenyl)acetamide
CID 45001416

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea (CID 55739333) is 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea is COc1ccc(C(CNC(=O)NCc2cccnc2-n2cccn2)N(C)C)cc1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea?
The InChIKey is RNYPIWBNUJHUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-26(2)19(16-7-9-18(29-3)10-8-16)15-24-21(28)23-14-17-6-4-11-22-20(17)27-13-5-12-25-27/h4-13,19H,14-15H2,1-3H3,(H2,23,24,28).
What are the key properties of 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea?
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea has a molecular weight of 394.48 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 55739333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).